N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide

C13H9ClF2N2O — CID 118693275

IUPACN-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(Cl)n1
InChIInChI=1S/C13H9ClF2N2O/c1-7(19)17-13-5-8(4-12(14)18-13)10-3-2-9(15)6-11(10)16/h2-6H,1H3,(H,17,18,19)
InChIKeyAQNBUUKTZGDBRJ-UHFFFAOYSA-N
MW282.68 g/mol
LogP3.64
Rot. Bonds2

About N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide

N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide (PubChem CID 118693275) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide
PubChem CID118693275
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC NameN-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)cc2F)cc(Cl)n1
InChIInChI=1S/C13H9ClF2N2O/c1-7(19)17-13-5-8(4-12(14)18-13)10-3-2-9(15)6-11(10)16/h2-6H,1H3,(H,17,18,19)
InChIKeyAQNBUUKTZGDBRJ-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
1-(5-Chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 469199
N-[6-amino-5-(2,3,5-trichlorophenyl)-2-pyridinyl]acetamide
CID 118126600
N-(5-chloropyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 807804
3-chloro-N-(6-chloropyridin-2-yl)benzamide
CID 44412923
N-(5-chloro-2-pyridinyl)-3-phenylacrylamide
CID 691131
(E)-3-(2,4-dichlorophenyl)-N-(4,6-dimethylpyridin-2-yl)prop-2-enamide
CID 868317
3-(4-chlorophenyl)-N-(6-methyl-2-pyridinyl)acrylamide
CID 898543
(E)-3-(2-Chloro-phenyl)-N-(4-methyl-pyridin-2-yl)-acrylamide
CID 946212
(E)-3-(2-chlorophenyl)-2-cyano-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 1587823

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide (CID 118693275) is N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccc(F)cc2F)cc(Cl)n1.
What is the InChIKey of N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide?
The InChIKey is AQNBUUKTZGDBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c1-7(19)17-13-5-8(4-12(14)18-13)10-3-2-9(15)6-11(10)16/h2-6H,1H3,(H,17,18,19).
What are the key properties of N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide?
N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide has a molecular weight of 282.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-4-(2,4-difluorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).